2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid

C18H20O3 — CID 44547163

IUPAC2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid
SMILESCc1ccc(CC(=O)O)cc1OCc1c(C)cccc1C
InChIInChI=1S/C18H20O3/c1-12-5-4-6-13(2)16(12)11-21-17-9-15(10-18(19)20)8-7-14(17)3/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyIYOFVSUBBMQUQM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.82
Rot. Bonds5

About 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid

2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid (PubChem CID 44547163) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid
PubChem CID44547163
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid
SMILESCc1ccc(CC(=O)O)cc1OCc1c(C)cccc1C
InChIInChI=1S/C18H20O3/c1-12-5-4-6-13(2)16(12)11-21-17-9-15(10-18(19)20)8-7-14(17)3/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyIYOFVSUBBMQUQM-UHFFFAOYSA-N
XLogP3.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid?
The IUPAC name of 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid (CID 44547163) is 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid?
The canonical SMILES for 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid is Cc1ccc(CC(=O)O)cc1OCc1c(C)cccc1C.
What is the InChIKey of 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid?
The InChIKey is IYOFVSUBBMQUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-4-6-13(2)16(12)11-21-17-9-15(10-18(19)20)8-7-14(17)3/h4-9H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid?
2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-dimethylphenyl)methoxy]-4-methylphenyl]acetic acid is sourced from PubChem (CID 44547163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).